2-(benzenesulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide

C19H20N2O5S3 — CID 16799806

IUPAC2-(benzenesulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCCn1/c(=N/C(=O)CS(=O)(=O)c2ccccc2)sc2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C19H20N2O5S3/c1-3-11-21-16-10-9-15(28(2,23)24)12-17(16)27-19(21)20-18(22)13-29(25,26)14-7-5-4-6-8-14/h4-10,12H,3,11,13H2,1-2H3/b20-19-
InChIKeyYZBYGICSNJTXKF-VXPUYCOJSA-N
MW452.58 g/mol
LogP2.42
Rot. Bonds6

About 2-(benzenesulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide

2-(benzenesulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 16799806) has the molecular formula C19H20N2O5S3 and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID16799806
Molecular FormulaC19H20N2O5S3
Molecular Weight452.58 g/mol
Exact Mass452.05
IUPAC Name2-(benzenesulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCCn1/c(=N/C(=O)CS(=O)(=O)c2ccccc2)sc2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C19H20N2O5S3/c1-3-11-21-16-10-9-15(28(2,23)24)12-17(16)27-19(21)20-18(22)13-29(25,26)14-7-5-4-6-8-14/h4-10,12H,3,11,13H2,1-2H3/b20-19-
InChIKeyYZBYGICSNJTXKF-VXPUYCOJSA-N
XLogP2.42
TPSA102.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(benzenesulfonyl)-N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540651
2-(benzenesulfonyl)-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 40697652
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide
CID 43984697
methyl 3-[2-[2-(benzenesulfonyl)acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate
CID 43983865
3-chloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 8612982
3-(benzenesulfonyl)-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide
CID 40697651
2-(benzenesulfonyl)-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7541367
2,5-dichloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43985105
N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide
CID 43985159
2-(benzenesulfonyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 18573226
4-[benzyl(ethyl)sulfamoyl]-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43985156
4-(diethylsulfamoyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43985079

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide (CID 16799806) is 2-(benzenesulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide is CCCn1/c(=N/C(=O)CS(=O)(=O)c2ccccc2)sc2cc(S(C)(=O)=O)ccc21.
What is the InChIKey of 2-(benzenesulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is YZBYGICSNJTXKF-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O5S3/c1-3-11-21-16-10-9-15(28(2,23)24)12-17(16)27-19(21)20-18(22)13-29(25,26)14-7-5-4-6-8-14/h4-10,12H,3,11,13H2,1-2H3/b20-19-.
What are the key properties of 2-(benzenesulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(benzenesulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 452.58 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 16799806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).